phenol;1,3,5-triazine-2,4,6-triamine

C9H12N6O — CID 22138289

IUPACphenol;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H6N6/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1/h1-5,7H;(H6,4,5,6,7,8,9)
InChIKeyJYIZNFVTKLARKT-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.01
Rot. Bonds

About phenol;1,3,5-triazine-2,4,6-triamine

phenol;1,3,5-triazine-2,4,6-triamine (PubChem CID 22138289) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is phenol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namephenol;1,3,5-triazine-2,4,6-triamine
PubChem CID22138289
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Namephenol;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H6N6/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1/h1-5,7H;(H6,4,5,6,7,8,9)
InChIKeyJYIZNFVTKLARKT-UHFFFAOYSA-N
XLogP0.01
TPSA136.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of phenol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of phenol;1,3,5-triazine-2,4,6-triamine (CID 22138289) is phenol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for phenol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for phenol;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.Oc1ccccc1.
What is the InChIKey of phenol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is JYIZNFVTKLARKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H6N6/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1/h1-5,7H;(H6,4,5,6,7,8,9).
What are the key properties of phenol;1,3,5-triazine-2,4,6-triamine?
phenol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 220.24 g/mol, XLogP of 0.01, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22138289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).